5-[1,3-benzodioxol-5-yl-(2-methylsulfanyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-5-yl)methyl]-2-methylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one

Systemtic Name: 5-[1,3-benzodioxol-5-yl-(2-methylsulfanyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-5-yl)methyl]-2-methylsulfanyl-6-oxidanyl-1-phenyl-pyrimidin-4-one Openeye Name: 5-[1,3-benzodioxol-5-yl-(6-hydroxy-2-methylsulfanyl-4-oxo-1-phenyl-pyrimidin-5-yl)methyl]-6-hydroxy-2-methylsulfanyl-1-phenyl-pyrimidin-4-one CAS Name: 5-[1,3-benzodioxol-5-yl-[6-hydroxy-2-(methylthio)-4-oxo-1-phenyl-5-pyrimidinyl]methyl]-6-hydroxy-2-(methylthio)-1-phenyl-4-pyrimidinone IUPAC Name: 5-[1,3-benzodioxol-5-yl-(6-hydroxy-2-methylsulfanyl-4-oxo-1-phenylpyrimidin-5-yl)methyl]-6-hydroxy-2-methylsulfanyl-1-phenylpyrimidin-4-one Traditional Name: 5-[1,3-benzodioxol-5-yl-[6-hydroxy-4-keto-2-(methylthio)-1-phenyl-pyrimidin-5-yl]methyl]-6-hydroxy-2-(methylthio)-1-phenyl-pyrimidin-4-one Formula: C30H24N4O6S2 MolecularWeight: 600.66476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C3=CC4=C(C=C3)OCO4)C5=C(N(C(=NC5=O)SC)C6=CC=CC=C6)O

Isomeric SMILES

CSC1=NC(=O)C(=C(N1C2=CC=CC=C2)O)C(C3=CC4=C(C=C3)OCO4)C5=C(N(C(=NC5=O)SC)C6=CC=CC=C6)O

InChI

InChI=1S/C30H24N4O6S2/c1-41-29-31-25(35)23(27(37)33(29)18-9-5-3-6-10-18)22(17-13-14-20-21(15-17)40-16-39-20)24-26(36)32-30(42-2)34(28(24)38)19-11-7-4-8-12-19/h3-15,22,37-38H,16H2,1-2H3